5,22-Cholestadien-24|A-ethyl-3|A-ol acetate
TL;DR: 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate (CAS 4651-48-3) is a chemical compound with molecular formula C31H50O2 and molecular weight 454.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: STIGMASTEROL ACETATE, Stigmasta-5,22-dien-3-beta-yl acetate, Stigmasta-5,22-dien-3.beta.-ol, acetate, 5,22-Cholestadien-24, A-ethyl-3
| Molecular Formula | C31H50O2 |
|---|---|
| Molecular Weight | 454.38 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.38107 |
| Heavy Atoms | 33 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 4651-48-3 |
|---|---|
| SMILES | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)C |
| InChIKey | IZEUIYYDWBKERE-UHFFFAOYSA-N |
Product Overview
5,22-Cholestadien-24|A-ethyl-3|A-ol acetate (CAS 4651-48-3), with molecular formula C31H50O2 and molecular weight 454.38 g/mol. IUPAC: [17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate
Property Insights of 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate
The XLogP value of 9.1 indicates that 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate?
The CAS number of 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate is 4651-48-3.
What is the molecular formula of 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate?
The molecular formula of 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate is C31H50O2.
What is the molecular weight of 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate?
The molecular weight of 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate is 454.38 g/mol.
Where can I buy 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate?
You can request a quote for 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate?
Yes, KEHONG BIO provides custom synthesis services for 5,22-Cholestadien-24|A-ethyl-3|A-ol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.